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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50002258   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021119
PNG
(CHEMBL34389 | disodium (2S)-1-((2S)-2-{[(2-phenyle...)
Show SMILES C[C@H](NP([O-])(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)/p-2/t12-,14-/m0/s1
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0.5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021123
PNG
(CHEMBL30505 | dipotassium (2S)-1-{(2S)-2-[(ethoxyp...)
Show SMILES CCOP([O-])(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C10H19N2O6P/c1-3-18-19(16,17)11-7(2)9(13)12-6-4-5-8(12)10(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,16,17)/p-2/t7-,8-/m0/s1
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1.20n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021118
PNG
(CHEMBL30836 | dipotassium (2S)-1-((2S)-2-{[(benzyl...)
Show SMILES C[C@H](NP([O-])(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C15H21N2O6P/c1-11(14(18)17-9-5-8-13(17)15(19)20)16-24(21,22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,20)(H2,16,21,22)/p-2/t11-,13-/m0/s1
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1.20n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021114
PNG
(CHEMBL282987 | tripotassium (2S)-1-[(2S)-2-(phosph...)
Show SMILES C[C@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/p-3/t5-,6-/m0/s1
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1.40n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021121
PNG
(CHEMBL286181 | dipotassium (2S)-1-{(2S)-2-[(isopro...)
Show SMILES CC(C)OP([O-])(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C11H21N2O6P/c1-7(2)19-20(17,18)12-8(3)10(14)13-6-4-5-9(13)11(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,17,18)/p-2/t8-,9-/m0/s1
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1.40n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021124
PNG
(CHEMBL34402 | dipotassium (2S)-1-{(2S)-2-[(methoxy...)
Show SMILES COP([O-])(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C9H17N2O6P/c1-6(10-18(15,16)17-2)8(12)11-5-3-4-7(11)9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)(H2,10,15,16)/p-2/t6-,7-/m0/s1
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2.60n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021116
PNG
(CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...)
Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1
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8n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021115
PNG
(CHEMBL33325 | disodium (2S)-1-((2S)-2-{[(4-nitroph...)
Show SMILES C[C@H](NP([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C14H18N3O8P/c1-9(13(18)16-8-2-3-12(16)14(19)20)15-26(23,24)25-11-6-4-10(5-7-11)17(21)22/h4-7,9,12H,2-3,8H2,1H3,(H,19,20)(H2,15,23,24)/p-2/t9-,12-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021115
PNG
(CHEMBL33325 | disodium (2S)-1-((2S)-2-{[(4-nitroph...)
Show SMILES C[C@H](NP([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C14H18N3O8P/c1-9(13(18)16-8-2-3-12(16)14(19)20)15-26(23,24)25-11-6-4-10(5-7-11)17(21)22/h4-7,9,12H,2-3,8H2,1H3,(H,19,20)(H2,15,23,24)/p-2/t9-,12-/m0/s1
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18n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021122
PNG
(1-{2-[Bis-(4-nitro-phenoxy)-phosphorylamino]-propi...)
Show SMILES C[C@H](NP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C20H21N4O10P/c1-13(19(25)22-12-2-3-18(22)20(26)27)21-35(32,33-16-8-4-14(5-9-16)23(28)29)34-17-10-6-15(7-11-17)24(30)31/h4-11,13,18H,2-3,12H2,1H3,(H,21,32)(H,26,27)/t13-,18-/m0/s1
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800n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020390
PNG
((2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbox...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
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3.00E+4n/an/an/an/an/an/a8.3n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8.3


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021120
PNG
(1-[2-(Diphenoxy-phosphorylamino)-propionyl]-pyrrol...)
Show SMILES C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C20H23N2O6P/c1-15(19(23)22-14-8-13-18(22)20(24)25)21-29(26,27-16-9-4-2-5-10-16)28-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,21,26)(H,24,25)/t15-,18-/m0/s1
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4.20E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020390
PNG
((2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbox...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
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5.00E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021117
PNG
((2S)-1-((2S)-2-{[phenylethyl(phenoxy)phosphoryl]am...)
Show SMILES C[C@H](NP(=O)(CCc1ccccc1)Oc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C22H27N2O5P/c1-17(21(25)24-15-8-13-20(24)22(26)27)23-30(28,29-19-11-6-3-7-12-19)16-14-18-9-4-2-5-10-18/h2-7,9-12,17,20H,8,13-16H2,1H3,(H,23,28)(H,26,27)/t17-,20-,30?/m0/s1
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5.50E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021119
PNG
(CHEMBL34389 | disodium (2S)-1-((2S)-2-{[(2-phenyle...)
Show SMILES C[C@H](NP([O-])(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)/p-2/t12-,14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021114
PNG
(CHEMBL282987 | tripotassium (2S)-1-[(2S)-2-(phosph...)
Show SMILES C[C@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/p-3/t5-,6-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme was evaluated


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021116
PNG
(CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...)
Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1
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n/an/a 900n/an/an/an/a8.0n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8 in NaCl buffer


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021116
PNG
(CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...)
Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1
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n/an/a 5.00E+7n/an/an/an/a8.0n/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021116
PNG
(CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...)
Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1
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n/an/a 1.70E+8n/an/an/an/a8.0n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8 in TRIS phosphate/borate buffer


J Med Chem 28: 1422-7 (1985)


Article DOI: 10.1021/jm00148a008
BindingDB Entry DOI: 10.7270/Q2Z60N24
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Ligand-Target Pair